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JURNAL KIMIA SAINS DAN APLIKASI

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Published by Universitas Diponegoro

ISSN : 14108917 EISSN : 25979914 DOI : -

Core Subject : Science, Engineering,

Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering

urnal Kimia Sains dan Aplikasi (p-ISSN: 1410-8917) and e-ISSN: 2597-9914) is published by Department of Chemistry, Diponegoro University. This journal is published four times per year and publishes research, review and short communication in field of Chemistry.

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Articles 6 Documents

Search results for , issue "Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022" : 6 Documents clear

In Silico Screening of Cinnamon (Cinnamomum burmannii) Bioactive Compounds as Acetylcholinesterase Inhibitors Zatta Yumni Ihdhar Syarafina; Mega Safithri; Maria Bintang; Rini Kurniasih
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Alzheimer’s is a progressive and neurodegenerative disease that mainly affects people aged 65 years and older. The pathophysiology of Alzheimer’s is possibly related to the depletion of the neurotransmitter acetylcholine (ACh) due to beta-amyloid plaques and neurofibrillary tangles. Secondary metabolites found in cinnamon bark (Cinnamomum burmannii) have the potential as anticholinesterases to treat Alzheimer’s symptoms. This study aimed to identify the potency of bioactive compounds from cinnamon bark as AChE inhibitors in silico through analysis of binding energy, inhibition constants, and types of interactions. The research was conducted by screening virtually 60 test ligands using the PyRx program and molecular docking using the Autodock Tools program. The results of the ligand-receptor interaction analysis showed that 12 of the 15 tested ligands had potential as AChE inhibitors. Epicatechin and medioresinol are the ligands with the best potential for AChE inhibition with affinity close to the natural ligand or donepezil. Epicatechin has a binding energy of −10.0 kcal/mol and inhibition constant of 0.0459 M, with four hydrogen bonds and seven hydrophobic bonds. Meanwhile, medioresinol has −9.9 kcal/mol binding energy and inhibition constant of 0.0543 M, with one hydrogen bond and thirteen hydrophobic bonds.

Chemosensor Strip from Kepok Banana Bracts Extract (Musa paradisiaca L.) for Detection of Tuna Freshness Joana Sugiarto; Zayyani Trianti Fatmasari; Sugiyani Puji Lestari; Bambang Purwono
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Anthocyanins as chemosensory compounds for amines have been tested in this study. Because anthocyanins are sensitive to pH changes, while amines have an alkaline nature, they can cause structural changes in anthocyanins, resulting in changes in the color of anthocyanins. The source of anthocyanins was the Kepok banana bracts (Musa paradisiaca L.), which were extracted using a mixture of ethanol:HCl 0.15% (3:2). The types of anthocyanin compounds were characterized using a UV-Vis spectrophotometer. The anthocyanin content obtained varied from 1.26 mg/100 g to 5.08 mg/100 g. The type of anthocyanin in the Kepok banana bracts was found as a cyanidin-3-rutinoside with maximum absorption at 513 nm at pH 1. The color of anthocyanin extract varied with changes in pH; it turned red in acid and faded in neutral solutions. The green color in the alkaline solution changes to brownish-yellow was associated with anthocyanin degradation. The color change at different pH indicates that banana bracts are regarded as a potential chemosensory compound to detect tuna freshness. The chemosensor was applied to a cellulose-based strip and exhibited a color change that corresponded to the increase in pH and was comparable to the results of the pH meter measurement. The structural changes of anthocyanin before and after the tuna freshness test were identified by the FTIR-ATR, indicating a change in the anthocyanin structure. Tuna freshness began to diminish after being stored for 12 and 24 hours at room temperature, marked by a color change of the paper strip to colorless and blackish gray.

Characterization and Antibacterial Activity Test of Green Synthetic ZnO Nanoparticles Using Avocado (Persea americana) Seed Extract Nanda Saridewi; Adelian Risa Adinda; Siti Nurbayti
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

The ability of cotton fabrics to absorb water creates several problems, such as providing an environment for bacterial growth. Antibacterial properties of textiles can be conducted by coating with nanoparticles with antibacterial activity. This study aimed to synthesize ZnO via green process nanoparticles using avocado seed extract (Persea americana), then characterize and evaluate its antibacterial activity on cotton fabrics. This research began with extracting avocado seed powder with distilled water. Then the avocado seed extract was mixed with Zn(CH3COO)2.2H2O and heated in a water bath at 70°C. The mixture was stirred while NaOH was added until the mixture reached pH 7, 8, and 9. The FTIR measurement of the avocado seed extract showed the presence of free hydroxyl and amino groups that act as reducing agents, capping agents, and stabilizers in the synthesis of ZnO nanoparticles. The XRD pattern of synthesized ZnO nanoparticles was hexagonal. The SEM results showed that the morphology of ZnO nanoparticles was spherical, with a particle size of 19.965 nm. Antibacterial activity was carried out on the cotton cloth coated with ZnO nanoparticles, resulting in an inhibition zone of 1.8 cm against E. coli and 1.97 cm against S. aureus bacteria. This study result indicated that ZnO nanoparticles have antibacterial activity by producing inhibition against E. coli and S. aureus.

Potential of C-Phenylcalix[4]Resorcinarene Epoxide Compound as Drug Delivery Agent in Breast Cancer Cells MCF-7 Dwi Rahmasari Fatmawati; Danny Nur Wahyu Hidayat; Diah Kartika Sari; Rizky Riyami Putri; Jumina Jumina; Yehezkiel Steven Kurniawan
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Cancer therapy through conventional chemotherapy has been widely applied; however, one of the main disadvantages of chemotherapy is the non-selective targeting of cancer cells which causes various adverse side effects. The development of drug delivery agents that are more selective and effective in cancer therapy needs to be performed so that the drugs have a therapeutic effect and minimize side effects. In this study, the compound C-phenylcalyx[4]resorcinarene epoxide (CFKRE) has acted as a drug delivery agent because it can form host complex interactions with ligands. The CFKRE compound was synthesized through two reaction steps: the condensation and alkylation reactions of the epoxide. The structure was analyzed using FTIR, 1H-, and 13C-NMR spectrophotometers and then tested for in vitro cytotoxicity using the MTT assay. The results showed that 70% yield of CFKRE was obtained. Molecular docking analysis of CFKRE compounds against PDGFR and EGFR proteins showed high binding energy compared to conventional chemotherapeutic agents. Molecular dynamic studies showed that CFKRE compounds could form a host-ligand complex with a −350.4 kcal/mol binding energy. Cytotoxic assay of CFKRE compound against MCF-7 breast cancer cells and Vero cells gave IC50 values of 4.04 and 29.59 μg/mL, respectively. These results indicated that CFKRE compounds are not toxic and have the potential to be utilized as new candidates for drug delivery agents.

Effects of Additional Polyvinyl Alcohol (PVA) on the Physiochemical Properties of Chitosan-Glutaraldehyde-Gelatine Bioplastic Muh Jufri; Retno Ariadi Lusiana; Nor Basid Adiwibawa Prasetya
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

This study investigated the effects of additional PVA on the physicochemical properties of the chitosan-glutaraldehyde/gelatin bioplastic composite. The best results of the bioplastic film were obtained at a concentration of 3% PVA, with a tensile strength value of 3.3 MPa, flexibility reached 54%, a thickness value of 0.24 mm, percentage of inhibition against E. coli and S. aureus was 21.8% and 8.8% respectively. The FTIR spectrum results showed no change in the wavenumber of the chitosan and gelatin chitosan spectrum with OH, CO, and NH functional groups. The spectrum indicates that only physical interactions occurred. The bioplastics are similar in thermal stability and have slight differences in bioplastic morphological contours. The average thickness of the bioplastics is between 0.20–0.26 mm. Based on the Japanese Industrial Standard (JIS), all bioplastics meet the standard thickness, which is < 0.25 mm, excluding chitosan, which has a thickness of 0.26 mm. The addition of PVA into the bioplastics structure increased the hydrophobicity, pH resistance, and flexibility of bioplastics. Meanwhile, additional PVA decreased biodegradability, only degraded by 60% at eight weeks. Based on these data, not all bioplastics can meet the degradation time criteria set by the international bioplastic standard ASTM D-6002, that bioplastics must be 100% degraded within eight weeks. Bioplastics made from chitosan and chitosan-gelatin have been degraded by 90% for 48 weeks. Based on the antibacterial properties, the inclusion of PVA into the bioplastic structure enhances the antibacterial properties.

Computational Studies of Thiourea Derivatives as Anticancer Candidates through Inhibition of Sirtuin-1 (SIRT1) Ruswanto Ruswanto; Richa Mardianingrum; Arry Yanuar
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Cancer is a disease that starts from the uncontrolled growth of abnormal cells in the organs or tissues of the body, which is the second leading cause of death in the world. One of the targets in discovering and developing anticancer drugs is Sirtuin-1. SIRT1 can act as a tumor suppressor or tumor promoter depending on its target in a particular signalling pathway or on particular cancer. This study aimed to study the interaction of a thiourea derivative with SIRT1 (PDB ID:4I5I) through its inhibition of histone deacetylase. Research has been carried out in silico with molecular docking (MGLTools.1.5.6) and molecular dynamics (Desmond 2019) of three thiourea derivatives to the receptor. In addition, pharmacokinetic parameters, toxicity, and selection of Lipinski's Rule of Five were also tested. Molecular docking results showed that compound b ([2-(methylcarbamothioylcarbamoyl)phenyl]benzoate) had the lowest ∆G value of −9.29 kcal/mol with a KI value of 0.156 µM compared to other thiourea derivatives and was proven by molecular dynamics tests for 30 ns and amino acids that play an active role in the interaction include the residue PheA:297. In terms of pharmacokinetics and toxicity, compound b is better than natural ligands. Compound b is predicted to be used as an anticancer candidate through further research.

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Home Page

OAI Link

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Contact Name Adi Darmawan

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Contact Name
Adi Darmawan

Contact Email
adidarmawan@live.undip.ac.id

Phone
-

Journal Mail Official
jksa@live.undip.ac.id

Editorial Address
-

Location
Kota semarang,

Jawa tengah

INDONESIA